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CHEBI:75586 - 1,2-hexadecanediol

ChEBI IDCHEBI:75586
ChEBI Name1,2-hexadecanediol
Stars
DefinitionA glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2.
Secondary ChEBI IDCHEBI:84954
Last Modified20 February 2015
Submitterlaimo, Steve
DownloadsMolfile
FormulaC16H34O2
Net Charge0
Average Mass258.446
Monoisotopic Mass258.25588
SMILESCCCCCCCCCCCCCCC(O)CO
InChIInChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3
InChIKeyBTOOAFQCTJZDRC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-hexadecanediol (CHEBI:75586) has parent hydride hexadecane (CHEBI:45296)
1,2-hexadecanediol (CHEBI:75586) is a glycol (CHEBI:13643)
Incoming Relation(s)
2-hydroxypalmityl palmitate (CHEBI:75587) has functional parent 1,2-hexadecanediol (CHEBI:75586)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) has functional parent 1,2-hexadecanediol (CHEBI:75586)
IUPAC Name 
hexadecane-1,2-diol
Synonyms  Source
1,2-hexadecyl diolSUBMITTER
hexadecan-1,2-diolChEBI
1,2-palmityl diolSUBMITTER
cetyl glycolChemIDplus
1,2-hexadecanediolNIST Chemistry WebBook
UniProt Name  Source
hexadecane-1,2-diolUniProt
Registry NumbersSources
Reaxys:1722206Reaxys
CAS:6920-24-7ChemIDplus
CAS:6920-24-7NIST Chemistry WebBook
Citations